5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine

C12H13Cl2N3O — CID 113360918

IUPAC5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(CCC3CCCO3)nc2nc1Cl
InChIInChI=1S/C12H13Cl2N3O/c13-8-6-9-12(17-11(8)14)16-10(15-9)4-3-7-2-1-5-18-7/h6-7H,1-5H2,(H,15,16,17)
InChIKeyZMVHSVUZHUFTMR-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.38
Rot. Bonds3

About 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 113360918) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID113360918
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(CCC3CCCO3)nc2nc1Cl
InChIInChI=1S/C12H13Cl2N3O/c13-8-6-9-12(17-11(8)14)16-10(15-9)4-3-7-2-1-5-18-7/h6-7H,1-5H2,(H,15,16,17)
InChIKeyZMVHSVUZHUFTMR-UHFFFAOYSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
CID 65155678
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840
7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 63950960
5-[2-(oxolan-2-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 65155553
8-(oxolan-2-ylmethyl)-7H-purine
CID 114402512
5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 65155343
5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine
CID 113331588
2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82336968
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 65155851

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 113360918) is 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(CCC3CCCO3)nc2nc1Cl.
What is the InChIKey of 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZMVHSVUZHUFTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c13-8-6-9-12(17-11(8)14)16-10(15-9)4-3-7-2-1-5-18-7/h6-7H,1-5H2,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 286.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 113360918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).